1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

C18H30N4O — CID 45211407

IUPAC1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESCC(C)NC1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21
InChIInChI=1S/C18H30N4O/c1-12(2)20-15-9-18(3,4)10-16-14(15)11-19-17(21-16)22-7-5-13(23)6-8-22/h11-13,15,20,23H,5-10H2,1-4H3
InChIKeyXVTSFFQRJSKACF-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.45
Rot. Bonds3

About 1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (PubChem CID 45211407) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
PubChem CID45211407
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESCC(C)NC1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21
InChIInChI=1S/C18H30N4O/c1-12(2)20-15-9-18(3,4)10-16-14(15)11-19-17(21-16)22-7-5-13(23)6-8-22/h11-13,15,20,23H,5-10H2,1-4H3
InChIKeyXVTSFFQRJSKACF-UHFFFAOYSA-N
XLogP2.45
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol
CID 14552480
N-(tert-butyl)-N'-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]urea
CID 45212697
[1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25283348
(5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 25370578
(5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 25446996
[1-[(5S)-5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25479898
(5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 42154866
1-[(5S)-7,7-dimethyl-5-(pyridin-3-ylmethylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 42291221
1-{5-[(3-Fluorobenzyl)amino]-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl}-4-piperidinol
CID 45230764
N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide
CID 51903676
[1-(5-Amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol
CID 70778972
(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 94133507

Frequently Asked Questions

What is the IUPAC name of 1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (CID 45211407) is 1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is CC(C)NC1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21.
What is the InChIKey of 1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The InChIKey is XVTSFFQRJSKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-12(2)20-15-9-18(3,4)10-16-14(15)11-19-17(21-16)22-7-5-13(23)6-8-22/h11-13,15,20,23H,5-10H2,1-4H3.
What are the key properties of 1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol has a molecular weight of 318.47 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7,7-dimethyl-5-(propan-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 45211407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).